(2Z)-2-(phenylsulfanylmethylidene)cyclohexan-1-one
Formula:C13H14OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(phenylsulfanylmethylidene)cyclohexan-1-one is a drug-like molecule.
| MolName | (2Z)-2-(phenylsulfanylmethylidene)cyclohexan-1-one |
| MolecularFormula | C13H14OS |
| Smiles | O=C(CCCC1)/C1=C\Sc1ccccc1 |
| InChI | InChI=1S/C13H14OS/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-3,7-8,10H,4-6,9H2 |
| InChIK | KMAFHOYNBGQUGM-UHFFFAOYSA-N |
| TotalMolweight | 218.319 |
| Molweight | 218.319 |
| MonoisotopicMass | 218.076535 |
| CLogP | 3.1373 |
| CLogS | -3.584 |
| H Acceptors | 1 |
| TotalSurfaceArea | 174.75 |
| Relative PSA | 0.17471 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | -7.4333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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